Molecule ID: mol15261
SMILES: NC(=O)C(CCCCC(=O)O)c1ccccc1
InChI: InChI=1S/C13H17NO3/c14-13(17)11(8-4-5-9-12(15)16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,14,17)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.79 | QSARToolbox | 0 » -1 |
| 4.79 | Datawarrior | 0 » -1 |
| 4.79 | OCHEM | 0 » -1 |
| 4.79 | AttenGpKa training set | 0 » -1 |